1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[1-(4-methylmorpholin-2-yl)ethyl]urea

C19H29N3O2 — CID 71967474

IUPAC1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[1-(4-methylmorpholin-2-yl)ethyl]urea
SMILESCC(NC(=O)NCCC1Cc2ccccc2C1)C1CN(C)CCO1
InChIInChI=1S/C19H29N3O2/c1-14(18-13-22(2)9-10-24-18)21-19(23)20-8-7-15-11-16-5-3-4-6-17(16)12-15/h3-6,14-15,18H,7-13H2,1-2H3,(H2,20,21,23)
InChIKeyINRZMYGEIPYBHE-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.81
Rot. Bonds5

About 1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[1-(4-methylmorpholin-2-yl)ethyl]urea

1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[1-(4-methylmorpholin-2-yl)ethyl]urea (PubChem CID 71967474) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[1-(4-methylmorpholin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[1-(4-methylmorpholin-2-yl)ethyl]urea
PubChem CID71967474
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[1-(4-methylmorpholin-2-yl)ethyl]urea
SMILESCC(NC(=O)NCCC1Cc2ccccc2C1)C1CN(C)CCO1
InChIInChI=1S/C19H29N3O2/c1-14(18-13-22(2)9-10-24-18)21-19(23)20-8-7-15-11-16-5-3-4-6-17(16)12-15/h3-6,14-15,18H,7-13H2,1-2H3,(H2,20,21,23)
InChIKeyINRZMYGEIPYBHE-UHFFFAOYSA-N
XLogP1.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[1-(4-methylmorpholin-2-yl)ethyl]urea with MolForge

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Related Compounds

N-(9H-fluoren-9-yl)morpholine-4-carboxamide
CID 806424
N-(4-phenylbutan-2-yl)morpholine-4-carboxamide
CID 2915222
ethyl N-{[{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}(2-methoxyethyl)amino]carbonyl}glycinate
CID 23723579
N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N'-ethyl-N-(2-methoxyethyl)urea
CID 23723868
US9670210, Example 15 N-({1-[(3-Methoxypiperidin-1-yl)carbonyl]azetidin-3-yl}methyl)-trans-2-phenylcyclopropanamine
CID 118290900
N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)-N'-propylurea
CID 23723799
1-[2-(4-Fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea
CID 71856970
N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 118740678
2,2,6-trimethyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]morpholine-4-carboxamide
CID 48634937
N-[2-(4-fluorophenyl)cyclopentyl]morpholine-4-carboxamide
CID 71869654
N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide
CID 75509306
1-[2-[(2S)-4-(2,3-dihydro-1H-inden-2-yl)morpholin-2-yl]ethyl]-3-ethylurea
CID 95208028

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[1-(4-methylmorpholin-2-yl)ethyl]urea?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[1-(4-methylmorpholin-2-yl)ethyl]urea (CID 71967474) is 1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[1-(4-methylmorpholin-2-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[1-(4-methylmorpholin-2-yl)ethyl]urea?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[1-(4-methylmorpholin-2-yl)ethyl]urea is CC(NC(=O)NCCC1Cc2ccccc2C1)C1CN(C)CCO1.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[1-(4-methylmorpholin-2-yl)ethyl]urea?
The InChIKey is INRZMYGEIPYBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(18-13-22(2)9-10-24-18)21-19(23)20-8-7-15-11-16-5-3-4-6-17(16)12-15/h3-6,14-15,18H,7-13H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[1-(4-methylmorpholin-2-yl)ethyl]urea?
1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[1-(4-methylmorpholin-2-yl)ethyl]urea has a molecular weight of 331.46 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[1-(4-methylmorpholin-2-yl)ethyl]urea is sourced from PubChem (CID 71967474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).